1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C17H28N6O2 — CID 128980369

IUPAC1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)Cc1noc(CN2CCCC(O)(c3cn(C(C)C)nn3)C2)n1
InChIInChI=1S/C17H28N6O2/c1-12(2)8-15-18-16(25-20-15)10-22-7-5-6-17(24,11-22)14-9-23(13(3)4)21-19-14/h9,12-13,24H,5-8,10-11H2,1-4H3
InChIKeyBIZFFEAHQSWTQB-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.92
Rot. Bonds6

About 1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 128980369) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
PubChem CID128980369
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)Cc1noc(CN2CCCC(O)(c3cn(C(C)C)nn3)C2)n1
InChIInChI=1S/C17H28N6O2/c1-12(2)8-15-18-16(25-20-15)10-22-7-5-6-17(24,11-22)14-9-23(13(3)4)21-19-14/h9,12-13,24H,5-8,10-11H2,1-4H3
InChIKeyBIZFFEAHQSWTQB-UHFFFAOYSA-N
XLogP1.92
TPSA93.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483683
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128980356
(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483062
1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979150
(3R)-1-[(3-methylimidazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486298
(3R)-1-(1,3-benzodioxol-4-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129484602
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128980366
(3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483645
1-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979140
(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129484561
(3R)-1-[(3-methoxyphenyl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486038
(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129484807

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 128980369) is 1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is CC(C)Cc1noc(CN2CCCC(O)(c3cn(C(C)C)nn3)C2)n1.
What is the InChIKey of 1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The InChIKey is BIZFFEAHQSWTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-12(2)8-15-18-16(25-20-15)10-22-7-5-6-17(24,11-22)14-9-23(13(3)4)21-19-14/h9,12-13,24H,5-8,10-11H2,1-4H3.
What are the key properties of 1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 348.45 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 128980369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).